N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine

C9H12N4S3 — CID 62189635

IUPACN-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCCNc1snnc1CSc1nc(C)cs1
InChIInChI=1S/C9H12N4S3/c1-3-10-8-7(12-13-16-8)5-15-9-11-6(2)4-14-9/h4,10H,3,5H2,1-2H3
InChIKeyLWENSKYQGAHOJA-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.03
Rot. Bonds5

About N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine

N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine (PubChem CID 62189635) has the molecular formula C9H12N4S3 and a molecular weight of 272.42 g/mol. Its IUPAC name is N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
PubChem CID62189635
Molecular FormulaC9H12N4S3
Molecular Weight272.42 g/mol
Exact Mass272.02
IUPAC NameN-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCCNc1snnc1CSc1nc(C)cs1
InChIInChI=1S/C9H12N4S3/c1-3-10-8-7(12-13-16-8)5-15-9-11-6(2)4-14-9/h4,10H,3,5H2,1-2H3
InChIKeyLWENSKYQGAHOJA-UHFFFAOYSA-N
XLogP3.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine (CID 62189635) is N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine is CCNc1snnc1CSc1nc(C)cs1.
What is the InChIKey of N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine?
The InChIKey is LWENSKYQGAHOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S3/c1-3-10-8-7(12-13-16-8)5-15-9-11-6(2)4-14-9/h4,10H,3,5H2,1-2H3.
What are the key properties of N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine?
N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine has a molecular weight of 272.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine is sourced from PubChem (CID 62189635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).